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CAS 1408168-74-0 Potassium phenoxylethyl trifluoroborate molecular structure lightbox
CAS RN: 1408168-74-0

Potassium phenoxylethyl trifluoroborate

  • Product code: SSC-051383
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1408168-74-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry

1408168-74-0 / potassium trifluoro(2-phenoxyethyl)boranuide

Standard CAS: 1408168-74-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1408168-74-0
Multi CAS
No
Molecular Formula
C8H9BF3KO
Molecular Weight
228.060000
Exact Mass
228.033561
SMILES
[B-](CCOC1=CC=CC=C1)(F)(F)F.[K+]
InChI
InChI=1S/C8H9BF3O.K/c10-9(11,12)6-7-13-8-4-2-1-3-5-8;/h1-5H,6-7H2;/q-1;+1
InChIKey
JCVRSLUANOEYNI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
45.82
TPSA
9.23

LogP / Solubility

WLOGP
-0.08
MLOGP
-0.07
XLogP3
-0.08
Consensus LogP
-0.08
Log S (ESOL)
-1.25
Class (ESOL)
Soluble
Log S (Ali)
-1.37
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.55
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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